1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide

C21H17BrN2O3S — CID 46262859

IUPAC1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17BrN2O3S/c22-17-5-4-6-18(14-17)23-21(25)16-9-10-20-15(13-16)11-12-24(20)28(26,27)19-7-2-1-3-8-19/h1-10,13-14H,11-12H2,(H,23,25)
InChIKeyZXWHMUUJNICKGF-UHFFFAOYSA-N
MW457.35 g/mol
LogP4.45
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide

1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 46262859) has the molecular formula C21H17BrN2O3S and a molecular weight of 457.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID46262859
Molecular FormulaC21H17BrN2O3S
Molecular Weight457.35 g/mol
Exact Mass456.01
IUPAC Name1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17BrN2O3S/c22-17-5-4-6-18(14-17)23-21(25)16-9-10-20-15(13-16)11-12-24(20)28(26,27)19-7-2-1-3-8-19/h1-10,13-14H,11-12H2,(H,23,25)
InChIKeyZXWHMUUJNICKGF-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 46262940
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100766585
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 100766467
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-bromophenyl)benzamide
CID 43919510

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide (CID 46262859) is 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide is O=C(Nc1cccc(Br)c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZXWHMUUJNICKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3S/c22-17-5-4-6-18(14-17)23-21(25)16-9-10-20-15(13-16)11-12-24(20)28(26,27)19-7-2-1-3-8-19/h1-10,13-14H,11-12H2,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide?
1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 457.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46262859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).